5N0E

Crystal structure of human carbonic anhydrase II in complex with (S)-4-(6,7-dihydroxy-1-phenyl-3,4-tetrahydroisoquinoline-1H-2-carbonyl)benzenesulfonamide.

5N0E の概要

• エントリーDOI: 10.2210/pdb5n0e/pdb
• 分子名称: Carbonic anhydrase 2, ZINC ION, 4-[[(1~{S})-6,7-bis(oxidanyl)-1-phenyl-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]benzenesulfonamide, ... (4 entities in total)
• 機能のキーワード: human carbonic anhydrase, benzesulfonamide, protein-inhibitor adduct, lyase
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Cytoplasm : P00918
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 29967.19

構造登録者

Di Fiore, A.,De Simone, G. (登録日: 2017-02-02, 公開日: 2017-05-10, 最終更新日: 2024-01-17)

• 主引用文献: Bruno, E.,Buemi, M.R.,Di Fiore, A.,De Luca, L.,Ferro, S.,Angeli, A.,Cirilli, R.,Sadutto, D.,Alterio, V.,Monti, S.M.,Supuran, C.T.,De Simone, G.,Gitto, R.; Probing Molecular Interactions between Human Carbonic Anhydrases (hCAs) and a Novel Class of Benzenesulfonamides.; J. Med. Chem., 60:4316-4326, 2017; PubMed: 28453941; DOI: 10.1021/acs.jmedchem.7b00264

実験手法

X-RAY DIFFRACTION (1.75 Å)